1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea

C18H16N4O2 — CID 72547385

IUPAC1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-18(21-15-9-5-2-6-10-15)22-16-17(20-12-11-19-16)24-13-14-7-3-1-4-8-14/h1-12H,13H2,(H2,19,21,22,23)
InChIKeySEQWFJQTGJLGBW-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.70
Rot. Bonds5

About 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea

1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea (PubChem CID 72547385) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea
PubChem CID72547385
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESO=C(Nc1ccccc1)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C18H16N4O2/c23-18(21-15-9-5-2-6-10-15)22-16-17(20-12-11-19-16)24-13-14-7-3-1-4-8-14/h1-12H,13H2,(H2,19,21,22,23)
InChIKeySEQWFJQTGJLGBW-UHFFFAOYSA-N
XLogP3.70
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The IUPAC name of 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea (CID 72547385) is 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea.
What is the SMILES notation for 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The canonical SMILES for 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea is O=C(Nc1ccccc1)Nc1nccnc1OCc1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The InChIKey is SEQWFJQTGJLGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(21-15-9-5-2-6-10-15)22-16-17(20-12-11-19-16)24-13-14-7-3-1-4-8-14/h1-12H,13H2,(H2,19,21,22,23).
What are the key properties of 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea has a molecular weight of 320.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylmethoxypyrazin-2-yl)urea is sourced from PubChem (CID 72547385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).